1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one

C16H12BrFN2O — CID 123782315

IUPAC1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)ncn2-c1ccc(F)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-10(21)6-11-2-5-16-15(7-11)19-9-20(16)12-3-4-14(18)13(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyAJKZACPVJUOWEI-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.06
Rot. Bonds3

About 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one

1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one (PubChem CID 123782315) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one
PubChem CID123782315
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one
SMILESCC(=O)Cc1ccc2c(c1)ncn2-c1ccc(F)c(Br)c1
InChIInChI=1S/C16H12BrFN2O/c1-10(21)6-11-2-5-16-15(7-11)19-9-20(16)12-3-4-14(18)13(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyAJKZACPVJUOWEI-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one?
The IUPAC name of 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one (CID 123782315) is 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one?
The canonical SMILES for 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one is CC(=O)Cc1ccc2c(c1)ncn2-c1ccc(F)c(Br)c1.
What is the InChIKey of 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one?
The InChIKey is AJKZACPVJUOWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-10(21)6-11-2-5-16-15(7-11)19-9-20(16)12-3-4-14(18)13(17)8-12/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one?
1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one has a molecular weight of 347.19 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]propan-2-one is sourced from PubChem (CID 123782315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).